Table 2.

Docking binding energy for the three different metal binding site as obtained from Autodock simulations.

Ligand	Binding Energy Tyr138-Tyr161 (kcal/mol)	Binding Energy Cys34 (kcal/mol)	Binding Energy His67-His247 (kcal/mol)
PPIX	− 15.2 ± 1.2	− 5.5 ± 0.5	− 4.0 ± 0.8
Zn(II)PPIX	− 16.7 ± 0.7	− 7.5 ± 0.7	− 7.5 ± 0.6
Fe(III)PPIX	−17.5 ± 0.5	− 6.5 ± 0.5	− 5.6 ± 0.7
Mg(II)PPIX	− 17.4 ± 0.2	− 7.9 ± 0.5	− 8.6 ± 0.7
Mn(III)PPIX	−17.9 ± 0.5	− 6.0 ± 0.4	− 5.2 ± 0.6
Sn(IV)PPIX	N/A	N/A	N/A